Crystallography Open Database

Information card for entry 7716194

Preview

Coordinates	7716194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cl4 O2 P2 Zr
Calculated formula	C36 H30 Cl4 O2 P2 Zr
Title of publication	Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
Authors of publication	Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	23
Pages of publication	9862 - 9873
a	9.4661 ± 0.0004 Å
b	9.5612 ± 0.0004 Å
c	10.5356 ± 0.0004 Å
α	101.126 ± 0.003°
β	107.899 ± 0.003°
γ	92.429 ± 0.003°
Cell volume	885.05 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0979
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.1668
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	0.903
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293136 (current)	2024-07-05	cif/ Updating files of 7716192, 7716193, 7716194, 7716195, 7716196 Original log message: Adding full bibliography for 7716192--7716196.cif.	7716194.cif
292078	2024-05-29	cif/ Adding structures of 7716192, 7716193, 7716194, 7716195, 7716196 via cif-deposit CGI script.	7716194.cif