Crystallography Open Database

Information card for entry 4067282

Preview

Coordinates	4067282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H70 Ce N5 O11
Calculated formula	C58 H70 Ce N5 O11
Title of publication	Cu2O: A Versatile Reagent for Base-Free Direct Synthesis of NHC-Copper Complexes and Decoration of 3D-MOF with Coordinatively Unsaturated NHC-Copper Species
Authors of publication	Chun, Jiseul; Lee, Han Sol; Jung, Il Gu; Lee, Soon Won; Kim, Hae Jin; Son, Seung Uk
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1518
a	14.868 ± 0.004 Å
b	25.174 ± 0.006 Å
c	22.523 ± 0.006 Å
α	90°
β	98.458 ± 0.004°
γ	90°
Cell volume	8338 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
178563 (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 4/06/72.	4067282.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067282.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067282.cif
34147	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067282, 4067283, 4067284 via cif-deposit CGI script.	4067282.cif