Crystallography Open Database

Information card for entry 4083337

Preview

Coordinates	4083337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H55 N2 O4 P2 Rh
Calculated formula	C56 H55 N2 O4 P2 Rh
SMILES	[RhH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)n2cccc3c2c2[n]1cccc2c3C(=O)O.O1CCCC1.O1CCCC1
Title of publication	Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2
Authors of publication	Annibale, Vincent T.; Song, Datong
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2776
a	9.4229 ± 0.0002 Å
b	25.4721 ± 0.0007 Å
c	23.9558 ± 0.0007 Å
α	90°
β	101.177 ± 0.001°
γ	90°
Cell volume	5640.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0981
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178722 (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 4/08/33.	4083337.cif
119257	2014-07-05	cif/ Updating files of 4083337, 4083338, 4083339 Original log message: Adding full bibliography for 4083337--4083339.cif.	4083337.cif
114312	2014-05-23	cif/ Adding structures of 4083337, 4083338, 4083339 via cif-deposit CGI script.	4083337.cif