Crystallography Open Database

Information card for entry 7208575

7208574 << 7208575 >> 7208576

Preview

Coordinates	7208575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31.5 N6 O26.5 P6 Zn5
Calculated formula	C30 H31.5 N6 O26.5 P6 Zn5
Title of publication	[Zn5(PO4)(HPO4)4(Hbpy)2(bpy)][H2PO4]·H2O: a novel inorganic‒organic metal-phosphate framework showing an unprecedented (3,4)-connected (4·62)6(4·62·103)2(64·102)2 topology and the coexistence of various phosphates
Authors of publication	Xu, Wen-yuan; Tian, Xiao-zhao; Sun, Gong-ming; Song, Yu-mei; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-zun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5730
a	10.0239 ± 0.0003 Å
b	10.0797 ± 0.0003 Å
c	23.5726 ± 0.0007 Å
α	77.713 ± 0.002°
β	79.766 ± 0.002°
γ	88.768 ± 0.002°
Cell volume	2289.82 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0576
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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.	7208575.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208575.cif
66493	2012-09-11	cif/ Adding structures of 7208575 via cif-deposit CGI script.	7208575.cif