Crystallography Open Database

Information card for entry 4320954

4320953 << 4320954 >> 4320955

Preview

Coordinates	4320954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl13.81 In0.27 Nb6 O4.19 Ti2
Calculated formula	Cl13.814 In0.2718 Nb6 O4.186 Ti2
Title of publication	Structural Studies of Indium and Thallium Insertion into the Framework of the Cluster Compound Ti2Nb6Cl14O4
Authors of publication	Ekaterina Anokhina; Michael Essig; Cynthia Day; Abdessadek Lachgar
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2185 - 2188
a	12.679 ± 0.002 Å
b	14.567 ± 0.002 Å
c	12.632 ± 0.003 Å
α	90°
β	95.255 ± 0.019°
γ	90°
Cell volume	2323.3 ± 0.7 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	0.0228
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0385
Weighted residual factors for all reflections included in the refinement	0.0395
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320954.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320954.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320954.cif
18276	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320954 via cif-deposit CGI script.	4320954.cif