Crystallography Open Database

Information card for entry 4311696

Preview

Coordinates	4311696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O6 Zn
Calculated formula	C14 H8 O6 Zn
Title of publication	Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents
Authors of publication	Mitsuru Kondo; Yasuhiko Irie; Yusuke Shimizu; Makoto Miyazawa; Hiroyuki Kawaguchi; Akira Nakamura; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6139 - 6141
a	7.391 ± 0.006 Å
b	6.273 ± 0.005 Å
c	14.256 ± 0.011 Å
α	90°
β	103.572 ± 0.01°
γ	90°
Cell volume	642.5 ± 0.9 Å³
Cell temperature	293.1 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	2.632
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311696.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311696.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311696.cif
3195	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311696 via cif-deposit CGI script.	4311696.cif