Crystallography Open Database

Information card for entry 7703002

Preview

Coordinates	7703002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cl2 N5 V
Calculated formula	C39 H48 Cl2 N5 V
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	11.5972 ± 0.0002 Å
b	14.7064 ± 0.0003 Å
c	21.9685 ± 0.0005 Å
α	90°
β	95.6135 ± 0.0016°
γ	90°
Cell volume	3728.83 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.038
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7703002.cif
245367	2019-12-19	cif/ Adding structures of 7702999, 7703000, 7703001, 7703002 via cif-deposit CGI script.	7703002.cif