Crystallography Open Database

Information card for entry 4321698

Preview

Coordinates	4321698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 B N8 O Re
Calculated formula	C23 H25 B N8 O Re
Title of publication	{TpRe(bpy)}: A Novel Pentaaminerhenium System That Stabilizes Both High and Low Oxidation States (Tp = Hydridotris(pyrazolyl)borate; bpy = 2,2'-Bipyridyl)
Authors of publication	T. Brent Gunnoe; Scott H. Meiere; Michal Sabat; W. Dean Harman
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	6127 - 6130
a	10.1935 ± 0.0005 Å
b	18.307 ± 0.0009 Å
c	12.5987 ± 0.0006 Å
α	90°
β	96.299 ± 0.001°
γ	90°
Cell volume	2336.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179319 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/16.	4321698.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321698.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321698.cif
19463	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321698 via cif-deposit CGI script.	4321698.cif