Crystallography Open Database

Information card for entry 7127773

Preview

Coordinates	7127773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Cl6 O6 P Zr
Calculated formula	C12 H13 Cl6 O6 P Zr
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	9.6112 ± 0.0005 Å
b	11.6372 ± 0.0006 Å
c	18.137 ± 0.001 Å
α	90°
β	99.301 ± 0.002°
γ	90°
Cell volume	2001.91 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0306
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	7127773.cif
260500	2021-01-05	cif/ Adding structures of 7127772, 7127773, 7127774, 7127775 via cif-deposit CGI script.	7127773.cif