Crystallography Open Database

Information card for entry 1513182

Preview

Coordinates	1513182.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rh(bpy)(CH3)(H2))]2+ 2[BF4]-
Formula	C12 H11 I2 N2 O Rh
Calculated formula	C12 H11 I2 N2 O Rh
SMILES	[Rh]1(I)(I)(C#[O])(C)[n]2ccccc2c2[n]1cccc2
Title of publication	Examination of a dicationic rhodium methyl aquo complex
Authors of publication	Kimberly A. Manbeck; William W. Brennessel; William D. Jones
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	140 - 143
a	6.9968 ± 0.001 Å
b	8.4323 ± 0.0013 Å
c	13.606 ± 0.002 Å
α	75.395 ± 0.003°
β	81.482 ± 0.003°
γ	75.678 ± 0.003°
Cell volume	749.51 ± 0.19 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513182.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513182.cif
91865	2013-12-16	cif/ Adding structures of 1513182 via cif-deposit CGI script.	1513182.cif