Crystallography Open Database

Information card for entry 7702077

7702076 << 7702077 >> 7702078

Preview

Coordinates	7702077.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[{NbOCl3(DEPE)2}(DEPE)]
Formula	C30 H72 Cl6 Nb2 O2 P6
Calculated formula	C30 H72 Cl6 Nb2 O2 P6
Title of publication	Niobium tetrahalide complexes with neutral diphosphine ligands.
Authors of publication	Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	19
Pages of publication	8192 - 8200
a	9.8162 ± 0.0003 Å
b	11.6449 ± 0.0003 Å
c	20.2185 ± 0.0014 Å
α	90°
β	95.496 ± 0.007°
γ	90°
Cell volume	2300.53 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0358
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
234732 (current)	2019-11-23	cif/ Adding structures of 7702073, 7702074, 7702075, 7702076, 7702077, 7702078, 7702079 via cif-deposit CGI script.	7702077.cif