Crystallography Open Database

Information card for entry 4337170

Preview

Coordinates	4337170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H40 B4 Ca N4
Calculated formula	C10 H40 B4 Ca N4
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)[N](C)(C)CC[N]7(C)C
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	10.1637 ± 0.0006 Å
b	14.9076 ± 0.0009 Å
c	13.7731 ± 0.0008 Å
α	90°
β	97.201 ± 0.004°
γ	90°
Cell volume	2070.4 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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.	4337170.cif
106193	2014-03-15	cif/ Adding structures of 4337166, 4337167, 4337168, 4337169, 4337170, 4337171 via cif-deposit CGI script.	4337170.cif