Crystallography Open Database

Information card for entry 4069374

Preview

Coordinates	4069374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 B F4 N4 O Rh
Calculated formula	C33 H36 B F4 N4 O Rh
SMILES	[Rh]1([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.[B](F)(F)(F)[F-].O=C(C)C
Title of publication	Thermochromic and Aggregation Properties of Bis(phenylisocyano) Rhodium(I) Diimine Complexes
Authors of publication	Lo, Larry Tso-Lun; Ng, Chi-On; Feng, Hua; Ko, Chi-Chiu
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3597
a	14.7171 ± 0.0005 Å
b	13.9287 ± 0.0004 Å
c	16.6506 ± 0.0005 Å
α	90°
β	109.209 ± 0.003°
γ	90°
Cell volume	3223.18 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0428
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178582 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93.	4069374.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069374.cif
40266	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069374 via cif-deposit CGI script.	4069374.cif