Crystallography Open Database

Information card for entry 4081846

Preview

Coordinates	4081846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Cl N2 Rh
Calculated formula	C31 H32 Cl N2 Rh
SMILES	c12ccccc1C1=[N]([C@@H]([C@@H](c3ccccc3)N1)c1ccccc1)[Rh]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl
Title of publication	Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks
Authors of publication	Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6195
a	20.5199 ± 0.0014 Å
b	20.5199 ± 0.0014 Å
c	11.4954 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	4191.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.1099
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
178707 (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 4/08/18.	4081846.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081846.cif
91780	2013-12-13	cif/ Adding structures of 4081842, 4081843, 4081844, 4081845, 4081846 via cif-deposit CGI script.	4081846.cif