Crystallography Open Database

Information card for entry 4337168

Preview

Coordinates	4337168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H34 B4 Ca N2 O2
Calculated formula	C8 H34 B4 Ca N2 O2
SMILES	[Ca]1234567([H][BH]([H]1)[N]([BH]([H]2)[H]3)(C)C)([H][BH]([H]6)[N]([BH]([H]4)[H]5)(C)C)[O](C)CC[O]7C
Title of publication	Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.
Authors of publication	Dunbar, Andrew C.; Girolami, Gregory S.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	888 - 896
a	9.5866 ± 0.001 Å
b	14.2788 ± 0.0014 Å
c	14.8732 ± 0.0016 Å
α	89.536 ± 0.007°
β	76.043 ± 0.007°
γ	77.185 ± 0.007°
Cell volume	1924.4 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	0.764
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
179474 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71.	4337168.cif
106193	2014-03-15	cif/ Adding structures of 4337166, 4337167, 4337168, 4337169, 4337170, 4337171 via cif-deposit CGI script.	4337168.cif