Crystallography Open Database

Information card for entry 4337070

Preview

Coordinates	4337070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H44 Cd Cl14 N12 Pd2
Calculated formula	C60 H44 Cd Cl14 N12 Pd2
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	9.061 ± 0.0002 Å
b	11.9362 ± 0.0002 Å
c	15.7702 ± 0.0003 Å
α	89.515 ± 0.001°
β	85.857 ± 0.001°
γ	79.427 ± 0.001°
Cell volume	1672.25 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4337070.cif
103137	2014-02-25	cif/ Adding structures of 4337070 via cif-deposit CGI script.	4337070.cif