Crystallography Open Database

Information card for entry 7703000

Preview

Coordinates	7703000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H88 Cl N10 O3 V2
Calculated formula	C68 H88 Cl N10 O3 V2
Title of publication	Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.
Authors of publication	Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1200 - 1206
a	10.5713 ± 0.0009 Å
b	16.0342 ± 0.0011 Å
c	19.4152 ± 0.0015 Å
α	94.679 ± 0.006°
β	95.011 ± 0.006°
γ	99.765 ± 0.005°
Cell volume	3215.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.2001
Residual factor for significantly intense reflections	0.1087
Weighted residual factors for significantly intense reflections	0.2749
Weighted residual factors for all reflections included in the refinement	0.343
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247721 (current)	2020-02-04	cif/ Updating files of 7702999, 7703000, 7703001, 7703002 Original log message: Adding full bibliography for 7702999--7703002.cif.	7703000.cif
245367	2019-12-19	cif/ Adding structures of 7702999, 7703000, 7703001, 7703002 via cif-deposit CGI script.	7703000.cif