Crystallography Open Database

Information card for entry 4337171

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Structure parameters

Formula	C24 H64 B4 Ca N2 O9
Calculated formula	C24 H64 B4 Ca N2 O9
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	15.7631 ± 0.001 Å
b	10.1952 ± 0.0006 Å
c	23.2794 ± 0.0015 Å
α	90°
β	104.528 ± 0.003°
γ	90°
Cell volume	3621.6 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4337171.cif
179474	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.	4337171.cif
106193	2014-03-15	cif/ Adding structures of 4337166, 4337167, 4337168, 4337169, 4337170, 4337171 via cif-deposit CGI script.	4337171.cif