Crystallography Open Database

Information card for entry 7214551

Preview

Coordinates	7214551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 N6 O16 Zn2
Calculated formula	C42 H30 N6 O16 Zn2
Title of publication	Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands
Authors of publication	He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9437
a	20.3296 ± 0.0018 Å
b	10.0183 ± 0.0009 Å
c	20.7795 ± 0.0019 Å
α	90°
β	103.925 ± 0.001°
γ	90°
Cell volume	4107.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214551.cif
110300	2014-04-18	cif/ Adding structures of 7214551, 7214552 via cif-deposit CGI script.	7214551.cif