Crystallography Open Database

Information card for entry 1520141

1520140 << 1520141 >> 1520142

Preview

Coordinates	1520141.cif

Structure parameters

Formula	C27 H34 Cl N2 Rh
Calculated formula	C27 H34 Cl N2 Rh
SMILES	C1(N(c2ccccc2C)CCCCN1c1c(C)cccc1)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
Title of publication	C27H34ClN2Rh
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Dervisi, A.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	479
a	11.4631 ± 0.0001 Å
b	12.2418 ± 0.0002 Å
c	17.1604 ± 0.0002 Å
α	90°
β	95.555 ± 0.001°
γ	90°
Cell volume	2396.79 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0421
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520141.cif
137582	2015-06-01	cif/ Adding structures of 1520141 via cif-deposit CGI script.	1520141.cif