Crystallography Open Database

Information card for entry 7701392

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Coordinates	7701392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H33 Cl2 F3 P Rh
Calculated formula	C42 H33 Cl2 F3 P Rh
Title of publication	A (2-(Naphthalen-2-yl)phenyl)rhodium(I) Complex formed by a Proposed Intramolecular 1,4-Ortho-to-Ortho’ Rh Metal-atom Migration and its Efficacy as an Initiator in the Controlled Stereospecific Polymerisation of Phenylacetylene
Authors of publication	Tan, Nicholas Sheng Long; Nealon, Gareth; Lynam, Jason Martin; Sobolev, Alexandre N.; Rowles, Matthew Ryan; Ogden, Mark Ian; Massi, Massimiliano; Lowe, Andrew B.
Journal of publication	Dalton Transactions
Year of publication	2019
a	11.7509 ± 0.0001 Å
b	21.0929 ± 0.0002 Å
c	13.9381 ± 0.0001 Å
α	90°
β	96.153 ± 0.001°
γ	90°
Cell volume	3434.8 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1
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
219435 (current)	2019-10-19	cif/ Adding structures of 7701392 via cif-deposit CGI script.	7701392.cif