Crystallography Open Database

Information card for entry 4064050

Preview

Coordinates	4064050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H97 N4 O4 Zn2
Calculated formula	C62 H97 N4 O4 Zn2
Title of publication	Insertion Reactions of Heterocumulenes into Zn−C Bonds: Synthesis and Structural Characterization of Multinuclear Zinc Amidate Complexes
Authors of publication	Schmidt, Sarah; Schäper, Raphaela; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	1073
a	13.2153 ± 0.0007 Å
b	13.5886 ± 0.0008 Å
c	18.7837 ± 0.0011 Å
α	79.754 ± 0.003°
β	86.258 ± 0.003°
γ	72.867 ± 0.003°
Cell volume	3171.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0522
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178502 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/40.	4064050.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064050.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064050.cif
32769	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064048, 4064049, 4064050 via cif-deposit CGI script.	4064050.cif