Crystallography Open Database

Information card for entry 4325918

Preview

Coordinates	4325918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Ca N2 O3 Si
Calculated formula	C38 H64 Ca N2 O3 Si
SMILES	[Ca]1(N(c2c(cccc2C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes
Authors of publication	Dongming Yang; Yuqiang Ding; Haishun Wu; Wenjun Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7698 - 7706
a	22.773 ± 0.003 Å
b	10.1659 ± 0.0012 Å
c	19.218 ± 0.002 Å
α	90°
β	113.359 ± 0.002°
γ	90°
Cell volume	4084.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179362 (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 4/32/59.	4325918.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325918.cif
46954	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325918 via cif-deposit CGI script.	4325918.cif