Crystallography Open Database

Information card for entry 4329191

Preview

Coordinates	4329191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H43 F6 N P2 Ti
Calculated formula	C50 H43 F6 N P2 Ti
Title of publication	Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu)
Authors of publication	Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5728 - 5736
a	9.9307 ± 0.0016 Å
b	10.5367 ± 0.0013 Å
c	11.0318 ± 0.0016 Å
α	74.432 ± 0.006°
β	72.692 ± 0.001°
γ	79.405 ± 0.003°
Cell volume	1054.8 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 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	0.0514
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329191.cif
78231	2013-04-01	cif/ Adding structures of 4329191 via cif-deposit CGI script.	4329191.cif