Crystallography Open Database

Information card for entry 4311328

Preview

Coordinates	4311328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H45 Cl2 Cu N3 O
Calculated formula	C35 H45 Cl2 Cu N3 O
SMILES	[Cu](Cl)(Cl)[n]1c(cccc1)CCc1c(CC)c(CCc2ncccc2)c(CC)c(c1CC)CCc1[n](cccc1)[Cu](Cl)(Cl)[n]1c(cccc1)CCc1c(CC)c(CCc2ncccc2)c(CC)c(c1CC)CCc1ncccc1.OCC.OCC
Title of publication	Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer
Authors of publication	Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4561 - 4563
a	8.93 ± 0.02 Å
b	12.95 ± 0.02 Å
c	14.98 ± 0.03 Å
α	92 ± 0.08°
β	106.5 ± 0.1°
γ	93.84 ± 0.08°
Cell volume	1655 ± 6 Å³
Cell temperature	161.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259535 (current)	2020-12-04	cif/4: Fixing Z values and formulae	4311328.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311328.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311328.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311328.cif
2823	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311328 via cif-deposit CGI script.	4311328.cif