Crystallography Open Database

Information card for entry 4304754

Preview

Coordinates	4304754.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(5,6-diphenyl-1,2,4-triazine-3-ketonato)bis(triphenylphosphine)- nitridorhenium(V) ethanol/water solvate
Formula	C68 H56 N7 O4 P2 Re
Calculated formula	C68 H56 N7 O4 P2 Re
Title of publication	Rhenium Complexes with Triazine Derivatives Formed from Semicarbazones and Thiosemicarbazones
Authors of publication	Elena López-Torres; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2890 - 2896
a	12.227 ± 0.001 Å
b	20.482 ± 0.001 Å
c	26.183 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6557.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.067
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179085 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47.	4304754.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304754.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304754.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304754.cif