Crystallography Open Database

Information card for entry 7026735

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Structure parameters

Formula	C22 H45 N7 Si3 Zr
Calculated formula	C22 H45 N7 Si3 Zr
SMILES	[Zr]12345N([Si](C)(C)C[N]4=NN5Cc4ccccc4)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
Title of publication	Insertion reactions involving a triamidoamine-supported zirconium complex.
Authors of publication	Leshinski, Sarah; Shalumova, Tamila; Tanski, Joseph M.; Waterman, Rory
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	38
Pages of publication	9073 - 9078
a	10.729 ± 0.003 Å
b	15.794 ± 0.004 Å
c	17.897 ± 0.005 Å
α	90°
β	92.125 ± 0.004°
γ	90°
Cell volume	3030.6 ± 1.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.0457
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026735.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7026735.cif
93581	2014-01-13	cif/ Adding structures of 7026735, 7026736 via cif-deposit CGI script.	7026735.cif