Crystallography Open Database

Information card for entry 4315372

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Structure parameters

Formula	C69 H105 I2 N4 O2 Sr2
Calculated formula	C69 H105 I2 N4 O2 Sr2
Title of publication	Heavier Alkaline Earth Metal Borohydride Complexes Stabilized by β-Diketiminate Ligand
Authors of publication	Sankaranarayana Pillai Sarish; Anukul Jana; Herbert W. Roesky; Thomas Schulz; Michael John; Dietmar Stalke
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3816 - 3820
a	21.5 ± 0.002 Å
b	15.4867 ± 0.0018 Å
c	23.025 ± 0.003 Å
α	90°
β	112.088 ± 0.001°
γ	90°
Cell volume	7103.8 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0283
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4315372.cif
179233	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53.	4315372.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315372.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315372.cif
8527	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315372 via cif-deposit CGI script.	4315372.cif