Crystallography Open Database

Information card for entry 4334973

Preview

Coordinates	4334973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 N O18 Ti Zn3
Calculated formula	C27 H19 N O18 Ti Zn3
Title of publication	Unique Coordination-Based Heterometallic Approach for the Stoichiometric Inclusion of High-Valent Metal Ions in a Porous Metal-Organic Framework
Authors of publication	Keunil Hong; Woojeong Bak; Hyungphil Chun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5645 - 5647
a	16.472 ± 0.003 Å
b	14.628 ± 0.003 Å
c	21.029 ± 0.004 Å
α	90°
β	97.01 ± 0.03°
γ	90°
Cell volume	5029.1 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.2033
Weighted residual factors for all reflections included in the refinement	0.2151
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179452 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49.	4334973.cif
100859	2014-02-07	cif/ Adding structures of 4334973 via cif-deposit CGI script.	4334973.cif