Crystallography Open Database

Information card for entry 4337068

Preview

Coordinates	4337068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 Cd Cl2 Cu2 N12
Calculated formula	C56 H40 Cd Cl2 Cu2 N12
Title of publication	From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks
Authors of publication	Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14439 - 14448
a	20.0626 ± 0.0004 Å
b	20.0626 ± 0.0004 Å
c	19.8105 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7973.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337068.cif
103135	2014-02-25	cif/ Adding structures of 4337068 via cif-deposit CGI script.	4337068.cif