Crystallography Open Database

Information card for entry 4303146

Preview

Coordinates	4303146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cu N4 O7
Calculated formula	C40 H20 Cu N4 O7
Title of publication	An Unprecedentedly Huge Square-Grid Copper(II)-Organic Framework Material Built from a Bulky Pyrene-Derived Elongated Cross-Shaped Scaffold
Authors of publication	Chen-Chuan Tsai; Tzuoo-Tsair Luo; Jen-Fu Yin; Hong-Cheu Lin; Kuang-Lieh Lu
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8650 - 8652
a	17.2138 ± 0.0011 Å
b	35.418 ± 0.003 Å
c	11.9728 ± 0.001 Å
α	90°
β	124.662 ± 0.004°
γ	90°
Cell volume	6004 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
179069 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303146.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303146.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303146.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303146.cif