Crystallography Open Database

Information card for entry 4337060

Preview

Coordinates	4337060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 N6 O Zn
Calculated formula	C30 H24 N6 O Zn
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	14.7677 ± 0.0004 Å
b	8.5971 ± 0.0002 Å
c	20.3458 ± 0.0005 Å
α	90°
β	90.93 ± 0.001°
γ	90°
Cell volume	2582.75 ± 0.11 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	4337060.cif
103127	2014-02-25	cif/ Adding structures of 4337060 via cif-deposit CGI script.	4337060.cif