Crystallography Open Database

Information card for entry 4072598

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Coordinates	4072598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H58 N2 O2 Zn
Calculated formula	C45 H58 N2 O2 Zn
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Zn](Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Characterization of NHC-Stabilized Zinc Aryloxide and Zinc Hydroxyaryloxide†
Authors of publication	Anantharaman, Ganapathi; Elango, Kandasamy
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	4
Pages of publication	1089
a	24.015 ± 0.005 Å
b	9.998 ± 0.002 Å
c	18.294 ± 0.004 Å
α	90°
β	115.14 ± 0.03°
γ	90°
Cell volume	3976.3 ± 1.7 Å³
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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