Crystallography Open Database

Information card for entry 4337065

Preview

Coordinates	4337065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H62 N16 O Zn2
Calculated formula	C76 H52 N16 O Zn2
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	18.0754 ± 0.0009 Å
b	8.9756 ± 0.0003 Å
c	20.8164 ± 0.001 Å
α	90°
β	107.722 ± 0.002°
γ	90°
Cell volume	3216.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1376
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2425
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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.	4337065.cif
103132	2014-02-25	cif/ Adding structures of 4337065 via cif-deposit CGI script.	4337065.cif