Crystallography Open Database

Information card for entry 7214625

Preview

Coordinates	7214625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H67 N4 O25.5 Zn4
Calculated formula	C36 H55 N4 O25.5 Zn4
Title of publication	Solvent-free synthesis of new open-framework oxalate structures
Authors of publication	Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5734
a	9.4178 ± 0.0003 Å
b	15.4572 ± 0.0006 Å
c	18.2451 ± 0.0009 Å
α	95.399 ± 0.004°
β	91.352 ± 0.004°
γ	90.312 ± 0.003°
Cell volume	2643.39 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214625.cif
110928	2014-04-20	cif/ Adding structures of 7214625, 7214626, 7214627, 7214628 via cif-deposit CGI script.	7214625.cif