Crystallography Open Database

Information card for entry 4329419

Preview

Coordinates	4329419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 N3 O9 Zn2
Calculated formula	C45 H39 N3 O9 Zn2
Title of publication	Synthesis, Structures, and Properties of Two Three-Dimensional Metal-Organic Frameworks, Based on Concurrent Ligand Extension
Authors of publication	Dabin Shi; Yanwei Ren; Huanfeng Jiang; Bowei Cai; Jiaxian Lu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6498 - 6506
a	11.98 ± 0.002 Å
b	18.625 ± 0.004 Å
c	17.982 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4012.3 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
179397 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329419.cif
78476	2013-04-02	cif/ Adding structures of 4329419 via cif-deposit CGI script.	4329419.cif