Crystallography Open Database

Information card for entry 7219578

7219577 << 7219578 >> 7219579

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Structure parameters

Formula	C30 H46 N4 Si2 Zn
Calculated formula	C30 H46 N4 Si2 Zn
SMILES	[Zn]1(N(C(=CC(=[N]1c1c(cccc1)C#N)C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide
Authors of publication	Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.
Journal of publication	RSC Adv.
Year of publication	2015
a	10.6036 ± 0.0001 Å
b	17.0996 ± 0.0002 Å
c	19.1825 ± 0.0003 Å
α	71.047 ± 0.001°
β	81.865 ± 0.001°
γ	89.954 ± 0.001°
Cell volume	3252.66 ± 0.07 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219578.cif
180526	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95.	7219578.cif
131917	2015-02-17	cif/ Adding structures of 7219576, 7219577, 7219578, 7219579, 7219580, 7219581 via cif-deposit CGI script.	7219578.cif