Crystallography Open Database

Information card for entry 4069706

Preview

Coordinates	4069706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H103 N6 O Zn5
Calculated formula	C52.75 H96 N6 O Zn5
Title of publication	Zinc Carbodiimide Cluster Complexes: Synthesis, X-ray Crystal Structures, and Reaction Mechanism
Authors of publication	Schmidt, Sarah; Gondzik, Sebastian; Schulz, Stephan; Bläser, Dieter; Boese, Roland
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4371
a	12.8446 ± 0.0009 Å
b	13.7719 ± 0.001 Å
c	19.7904 ± 0.0013 Å
α	94.978 ± 0.004°
β	108.659 ± 0.003°
γ	103.379 ± 0.004°
Cell volume	3177.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0623
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069706.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069706.cif
40400	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069704, 4069705, 4069706 via cif-deposit CGI script.	4069706.cif