Crystallography Open Database

Information card for entry 7034684

Preview

Coordinates	7034684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 Cl7 Cu8 N18 O18
Calculated formula	C54 H38 Cl7 Cu8 N18 O18
Title of publication	Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.
Authors of publication	Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	19
Pages of publication	8926 - 8931
a	15.8022 ± 0.0007 Å
b	24.029 ± 0.0012 Å
c	21.3108 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8091.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
180052 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/46.	7034684.cif
138709	2015-06-07	cif/ Updating files of 7034682, 7034683, 7034684 Original log message: Adding full bibliography for 7034682--7034684.cif.	7034684.cif
134690	2015-04-04	cif/ Adding structures of 7034682, 7034683, 7034684 via cif-deposit CGI script.	7034684.cif