Crystallography Open Database

Information card for entry 1556380

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Structure parameters

Formula	C35 H47 N3 O Zn
Calculated formula	C35 H47 N3 O Zn
SMILES	[Zn]12(N(C(=CC(=[N]1Cc1[n]2cccc1)C)C)c1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide
Authors of publication	Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai
Journal of publication	Catalysis Science & Technology
Year of publication	2013
Journal volume	3
Journal issue	12
Pages of publication	3268
a	10.889 ± 0.0005 Å
b	14.2911 ± 0.0007 Å
c	20.7227 ± 0.0009 Å
α	92.804 ± 0.004°
β	92.129 ± 0.004°
γ	92.212 ± 0.004°
Cell volume	3216.1 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.115
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556380.cif
275434	2022-05-16	cif/1 Fixing some Z values and formulae	1556380.cif
244410	2019-11-28	cif/ Adding structures of 1556378, 1556379, 1556380 via cif-deposit CGI script.	1556380.cif