Crystallography Open Database

Information card for entry 4064121

Preview

Coordinates	4064121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.33 H130.67 Ca2 Cl4 Li4 N4 O6.33
Calculated formula	C81.32 H130.64 Ca2 Cl4 Li4 N4 O6.33
Title of publication	Calcium Complexes of Noninnocent α-Diimine Ligands
Authors of publication	Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1599
a	20.968 ± 0.002 Å
b	19.331 ± 0.002 Å
c	25.286 ± 0.003 Å
α	90°
β	112.349 ± 0.002°
γ	90°
Cell volume	9479.4 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.1271
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2413
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178535 (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 4/06/41.	4064121.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064121.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064121.cif
32788	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064117, 4064118, 4064119, 4064120, 4064121 via cif-deposit CGI script.	4064121.cif