Crystallography Open Database

Information card for entry 7702999

Preview

Coordinates	7702999.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AL-II-062
Formula	C72 H100 N12 O2 V2
Calculated formula	C72 H100 N12 O2 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	11.705 ± 0.0012 Å
b	12.9909 ± 0.0014 Å
c	13.1353 ± 0.0015 Å
α	96.537 ± 0.007°
β	110.688 ± 0.006°
γ	106.507 ± 0.007°
Cell volume	1739.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
247721 (current)	2020-02-04	cif/ Updating files of 7702999, 7703000, 7703001, 7703002 Original log message: Adding full bibliography for 7702999--7703002.cif.	7702999.cif
245367	2019-12-19	cif/ Adding structures of 7702999, 7703000, 7703001, 7703002 via cif-deposit CGI script.	7702999.cif