Crystallography Open Database

Information card for entry 4305867

Preview

Coordinates	4305867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H76 N4 O3 Si2 Sr
Calculated formula	C42 H76 N4 O3 Si2 Sr
SMILES	[Sr]12(N([Si]1(C)(C)C)[Si](C)(C)C)([N](=NN2c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Triazenide Complexes of the Heavier Alkaline Earths: Synthesis, Characterization, And Suitability for Hydroamination Catalysis
Authors of publication	Anthony G. M. Barrett; Mark R. Crimmin; Michael S. Hill; Peter B. Hitchcock; Gabriele Kociok-Köhn; Panayiotis A. Procopiou
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7366 - 7376
a	14.2503 ± 0.0005 Å
b	17.8678 ± 0.0007 Å
c	19.015 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4841.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179096 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/58.	4305867.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305867.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305867.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305867.cif