Crystallography Open Database

Information card for entry 4311652

Preview

Coordinates	4311652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H79 N O15 P6 Ti3
Calculated formula	C69.5 H75 N O15 P6 Ti3
Title of publication	Synthesis, Structures, and Solution Behavior of Di- and Trinuclear Titanium(IV)-Cyclophosphato Complexes
Authors of publication	Sou Kamimura; Tsukasa Matsunaga; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6127 - 6129
a	11.2743 ± 0.0009 Å
b	13.313 ± 0.001 Å
c	26.442 ± 0.002 Å
α	79.799 ± 0.003°
β	89.912 ± 0.005°
γ	65.218 ± 0.002°
Cell volume	3534.6 ± 0.5 Å³
Cell temperature	103.2 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 significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.445
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311652.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311652.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311652.cif
3151	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311652 via cif-deposit CGI script.	4311652.cif