Crystallography Open Database

Information card for entry 4312255

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Coordinates	4312255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C188 H192 Bi8 O76 Ti8
Calculated formula	C188 H192 Bi8 O76 Ti8
Title of publication	Heterobimetallic Bi(III)-Ti(IV) Coordination Complexes: Synthesis and Solid-State Structures of BiTi4(sal)6(μ-OiPr)3(OiPr)4, and the Cyclic Isomers Bi4Ti4(sal)10(μ-OiPr)4(OiPr)4 and Bi8Ti8(sal)20(μ-OiPr)8(OiPr)8
Authors of publication	John H. Thurston; Arvind Kumar; Cristina Hofmann; Kenton H. Whitmire
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8427 - 8436
a	24.115 ± 0.005 Å
b	29.755 ± 0.006 Å
c	35.369 ± 0.007 Å
α	90°
β	108.59 ± 0.03°
γ	90°
Cell volume	24055 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0843
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	0.766
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
179161 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/22.	4312255.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312255.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312255.cif
3760	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312255 via cif-deposit CGI script.	4312255.cif