Crystallography Open Database

Information card for entry 4344050

Preview

Coordinates	4344050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 Cl3 N5 O4 Rh
Calculated formula	C29 H23 Cl3 N5 O4 Rh
SMILES	[Rh]123(Cl)(OC(=O)[C@@H]4[N]3(Cc3[n]2cccc3)CCC4)n2c3c4[n]1c1ccccc1c4c1C(=O)NC(=O)c1c3ccc2.ClCCl
Title of publication	Correlation between the Stereochemistry and Bioactivity in Octahedral Rhodium Prolinato Complexes.
Authors of publication	Rajaratnam, Rajathees; Martin, Elisabeth K.; Dörr, Markus; Harms, Klaus; Casini, Angela; Meggers, Eric
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	16
Pages of publication	8111 - 8120
a	8.6511 ± 0.0006 Å
b	13.3092 ± 0.0009 Å
c	23.6366 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2721.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
160504 (current)	2015-10-06	cif/ Updating files of 4344050, 4344051 Original log message: Adding full bibliography for 4344050--4344051.cif.	4344050.cif
153058	2015-08-08	cif/ Adding structures of 4344050, 4344051 via cif-deposit CGI script.	4344050.cif