Crystallography Open Database

Information card for entry 4083263

Preview

Coordinates	4083263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 Cl N2 Rh
Calculated formula	C29 H44 Cl N2 Rh
Title of publication	Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity
Authors of publication	Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8275
a	11.043 ± 0.004 Å
b	15.067 ± 0.005 Å
c	17.029 ± 0.006 Å
α	90°
β	91.66 ± 0.005°
γ	90°
Cell volume	2832.2 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0542
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083263.cif
113687	2014-05-13	cif/ Adding structures of 4083260, 4083261, 4083262, 4083263 via cif-deposit CGI script.	4083263.cif