Crystallography Open Database

Information card for entry 7127775

Preview

Coordinates	7127775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Cl10 O16 P2 V2
Calculated formula	C40 H58 Cl10 O16 P2 V2
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	14.4834 ± 0.0009 Å
b	14.9881 ± 0.0009 Å
c	15.571 ± 0.001 Å
α	107.35 ± 0.002°
β	117.247 ± 0.002°
γ	98.551 ± 0.002°
Cell volume	2701.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0438
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7127775.cif
260500	2021-01-05	cif/ Adding structures of 7127772, 7127773, 7127774, 7127775 via cif-deposit CGI script.	7127775.cif