Crystallography Open Database

Information card for entry 7019049

7019048 << 7019049 >> 7019050

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Coordinates	7019049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C266.5 H195 Cl29 Cu12 N96 O84
Calculated formula	C252 H144 Cu12 N96 O72
Title of publication	Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand.
Authors of publication	Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	22
Pages of publication	6683 - 6688
a	25.626 ± 0.007 Å
b	25.626 ± 0.007 Å
c	85.61 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	48687 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019049.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019049.cif
60425	2012-06-14	cif/ Adding structures of 7019048, 7019049 via cif-deposit CGI script.	7019049.cif