Crystallography Open Database

Information card for entry 7219577

7219576 << 7219577 >> 7219578

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Structure parameters

Formula	C50 H66 N10 Si4 Zn2
Calculated formula	C50 H66 N10 Si4 Zn2
SMILES	C1(=CC(C)=[N](c2c(cccc2)C#N)[Zn]2(N1c1c(cccc1)C#[N][Zn]1(N(C(=CC(C)=[N]1c1c(cccc1)C#N)C)c1c(cccc1)C#[N]2)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(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	10.3795 ± 0.0003 Å
b	11.2101 ± 0.0004 Å
c	15.3836 ± 0.0006 Å
α	75.093 ± 0.001°
β	80.392 ± 0.002°
γ	71.743 ± 0.002°
Cell volume	1635.37 ± 0.1 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	0.0572
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7219577.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.	7219577.cif
131917	2015-02-17	cif/ Adding structures of 7219576, 7219577, 7219578, 7219579, 7219580, 7219581 via cif-deposit CGI script.	7219577.cif