Crystallography Open Database

Information card for entry 8106546

Preview

Coordinates	8106546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Cu I O P2
Calculated formula	C44 H32 Cu I O P2
SMILES	[Cu]1(I)[O]=P(c2c(c3c([P]1(c1ccccc1)c1ccccc1)ccc1c3cccc1)c1c(cc2)cccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of (μ2-[2,2′-bis(diphenylphosphino)-1,1′-binaphthalene oxide-κ2 O,P])-iodido copper(I), C44H32CuIOP2
Authors of publication	Wang, Ying-Feng; Li, Si-Fan; Lin, Sen; Cui, Yang-Zhe; Jin, Qiong-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	391 - 393
a	17.1995 ± 0.0014 Å
b	11.4175 ± 0.0009 Å
c	19.1704 ± 0.0017 Å
α	90°
β	104.263 ± 0.002°
γ	90°
Cell volume	3648.5 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280522 (current)	2023-01-23	cif/ Adding structures of 8106546 via cif-deposit CGI script.	8106546.cif