Crystallography Open Database

Information card for entry 4323980

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Coordinates	4323980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 Cd I O9 Ti2
Calculated formula	C27 Cd I O9 Ti2
Title of publication	Synthesis and Spectroscopic Characterization of Novel Heterotermetallic Isopropoxides: X-ray Crystal Structures of ICd{M2(OPri)9} and [{Cd(OPri)3}Ba{M2(OPri)9}]2 (M = Ti, Hf)
Authors of publication	Michael Veith; Sanjay Mathur; Volker Huch
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	7295 - 7303
a	11.708 ± 0.024 Å
b	15.779 ± 0.031 Å
c	12.156 ± 0.023 Å
α	90°
β	116.69 ± 0.14°
γ	90°
Cell volume	2006 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for all reflections	0.149
Weighted residual factors for significantly intense reflections	0.1392
Goodness-of-fit parameter for all reflections	1.249
Goodness-of-fit parameter for significantly intense reflections	1.302
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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