Crystallography Open Database

Information card for entry 7712131

Preview

Coordinates	7712131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H41 N2 P2 Rh
Calculated formula	C51 H41 N2 P2 Rh
SMILES	[Rh]12([P](c3ccccc3)(c3ccccc3)CN3C=2N(c2c4c3cccc4ccc2)C[P]1(c1ccccc1)c1ccccc1)C#Cc1ccccc1.c1ccccc1
Title of publication	C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.
Authors of publication	Watson, Lachlan J.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	2164 - 2174
a	9.8173 ± 0.0001 Å
b	25.6987 ± 0.0003 Å
c	16.1102 ± 0.0002 Å
α	90°
β	97.022 ± 0.001°
γ	90°
Cell volume	4033.99 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
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	0.0395
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283324 (current)	2023-05-05	cif/ Updating files of 7712131, 7712132, 7712133, 7712134, 7712135, 7712136, 7712137 Original log message: Adding full bibliography for 7712131--7712137.cif.	7712131.cif
280354	2023-01-17	cif/ Adding structures of 7712131, 7712132, 7712133, 7712134, 7712135, 7712136, 7712137 via cif-deposit CGI script.	7712131.cif