Crystallography Open Database

Information card for entry 7051380

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Coordinates	7051380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H61 Cl13 N6 Ti2
Calculated formula	C46 H61 Cl13 N6 Ti2
Title of publication	Synthesis and characterisation of a bridging nitrido complex of titanium
Authors of publication	Carmalt, Claire J.; Mileham, John D.; White, Andrew J. P.; Williams, David J.
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	12
Pages of publication	929
a	25.101 ± 0.006 Å
b	14.916 ± 0.003 Å
c	17.108 ± 0.004 Å
α	90°
β	107.11 ± 0.02°
γ	90°
Cell volume	6122 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for all reflections	0.1897
Weighted residual factors for significantly intense reflections	0.1702
Goodness-of-fit parameter for all reflections	1.048
Goodness-of-fit parameter for significantly intense reflections	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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