Crystallography Open Database

Information card for entry 4321909

4321908 << 4321909 >> 4321910

Preview

Coordinates	4321909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H19 Cl3 N2 Ti
Calculated formula	C11 H19 Cl3 N2 Ti
Title of publication	Synthesis, Structure, and Properties of Group 4 and 5 Metal Pyrazolato Chloride Complexes
Authors of publication	Carlos Yélamos; Mary Jane Heeg; Charles H. Winter
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1871 - 1878
a	22.6542 ± 0.0008 Å
b	9.5147 ± 0.0003 Å
c	16.5329 ± 0.0006 Å
α	90°
β	113.578 ± 0.001°
γ	90°
Cell volume	3266.1 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1092
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for all reflections	0.127
Weighted residual factors for significantly intense reflections	0.1081
Goodness-of-fit parameter for all reflections	0.916
Goodness-of-fit parameter for significantly intense reflections	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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