Crystallography Open Database

Information card for entry 1560012

Preview

Coordinates	1560012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H47 Cl N3 P3 Ti
Calculated formula	C47 H47 Cl N3 P3 Ti
Title of publication	Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.
Authors of publication	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	1
Pages of publication	253 - 269
a	12.4622 ± 0.0007 Å
b	22.1019 ± 0.0012 Å
c	15.1862 ± 0.0005 Å
α	90°
β	94.567 ± 0.001°
γ	90°
Cell volume	4169.6 ± 0.4 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 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	0.0651
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
267045 (current)	2021-07-05	cif/ Updating files of 1560000, 1560001, 1560002, 1560003, 1560004, 1560005, 1560006, 1560007, 1560008, 1560009, 1560010, 1560011, 1560012 Original log message: Adding full bibliography for 1560000--1560012.cif.	1560012.cif
260850	2021-01-08	cif/ Adding structures of 1560000, 1560001, 1560002, 1560003, 1560004, 1560005, 1560006, 1560007, 1560008, 1560009, 1560010, 1560011, 1560012 via cif-deposit CGI script.	1560012.cif