Crystallography Open Database

Information card for entry 7127774

Preview

Coordinates	7127774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.82 H3.53 Cl1.18 O1.65 P0.24 V0.24
Calculated formula	C2.82353 H3.52941 Cl1.17647 O1.64706 P0.235294 V0.235294
Title of publication	Oxyphosphoranes as precursors to bridging phosphate-catecholate ligands.
Authors of publication	Yang, Xin; Wei, Rui; Shi, Yaping; Liu, Liu Leo; Wu, Yile; Zhao, Yufen; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	10
Pages of publication	1194 - 1197
a	12.0697 ± 0.0006 Å
b	12.2097 ± 0.0006 Å
c	16.6508 ± 0.0008 Å
α	72.379 ± 0.001°
β	73.271 ± 0.001°
γ	60.546 ± 0.001°
Cell volume	2007.62 ± 0.17 Å³
Cell temperature	199 ± 2 K
Ambient diffraction temperature	199 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	0.0334
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262468 (current)	2021-03-05	cif/ Updating files of 7127772, 7127773, 7127774, 7127775 Original log message: Adding full bibliography for 7127772--7127775.cif.	7127774.cif
260500	2021-01-05	cif/ Adding structures of 7127772, 7127773, 7127774, 7127775 via cif-deposit CGI script.	7127774.cif