Crystallography Open Database

Information card for entry 4311676

Preview

Coordinates	4311676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl2 O P Re0.5
Calculated formula	C18 H15 Cl2 O P Re0.5
Title of publication	Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene
Authors of publication	Lihui Wei; John W. Babich; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6445 - 6454
a	9.2986 ± 0.0006 Å
b	9.6486 ± 0.0006 Å
c	10.3467 ± 0.0007 Å
α	102.095 ± 0.001°
β	108.216 ± 0.001°
γ	93.876 ± 0.001°
Cell volume	853.3 ± 0.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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	0.0669
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311676.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311676.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311676.cif
3175	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311676 via cif-deposit CGI script.	4311676.cif