Crystallography Open Database

Information card for entry 7021391

Preview

Coordinates	7021391.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZBP-NH4
Formula	C12 H18 N2 O21 P6 Zn5
Calculated formula	C12 H6 N2 O21 P6 Zn5
Title of publication	Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.
Authors of publication	Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	29
Pages of publication	10424 - 10432
a	8.5337 ± 0.0002 Å
b	16.1764 ± 0.0003 Å
c	19.9903 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2759.55 ± 0.11 Å³
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0122
RFsqd	0.01357
Residual factor R(I) for significantly intense reflections	0.01958
Goodness-of-fit parameter for all reflections	0.6908
Method of determination	powder diffraction
Diffraction radiation wavelength	0.9986 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179918 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/13.	7021391.cif
86918	2013-07-12	cif/ Adding structures of 7021388, 7021389, 7021390, 7021391 via cif-deposit CGI script.	7021391.cif