Crystallography Open Database

Information card for entry 4341442

Preview

Coordinates	4341442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11.45 H1.55 Ca12 In
Calculated formula	C11.44 H1.56 Ca12 In
Title of publication	Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).
Authors of publication	Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	3
Pages of publication	914 - 921
a	9.6055 ± 0.0008 Å
b	9.6055 ± 0.0008 Å
c	9.6055 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	886.26 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341442.cif
130527	2015-02-04	cif/ Updating files of 4341440, 4341441, 4341442 Original log message: Adding full bibliography for 4341440--4341442.cif.	4341442.cif
126608	2014-11-07	cif/ Adding structures of 4341440, 4341441, 4341442 via cif-deposit CGI script.	4341442.cif