Crystallography Open Database

Information card for entry 4129738

Preview

Coordinates	4129738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H103.5 Co N3 O0.25 P3 V
Calculated formula	C78 H103.5 Co N3 O0.25 P3 V
Title of publication	Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.
Authors of publication	Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	48
Pages of publication	15247 - 15261
a	14.986 ± 0.0004 Å
b	22.3994 ± 0.0007 Å
c	23.3004 ± 0.0007 Å
α	108.043 ± 0.002°
β	96.706 ± 0.002°
γ	101.488 ± 0.002°
Cell volume	7152.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
240404 (current)	2019-11-25	cif/ Adding structures of 4129738 via cif-deposit CGI script.	4129738.cif