Crystallography Open Database

Information card for entry 7054466

Preview

Coordinates	7054466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H53 N16 O25.5 Zn3
Calculated formula	C68 H52 N16 O25.5 Zn3
Title of publication	Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors
Authors of publication	Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	7
Pages of publication	3258
a	9.9875 ± 0.0007 Å
b	21.46 ± 0.0018 Å
c	34.472 ± 0.003 Å
α	90°
β	104.236 ± 0.005°
γ	90°
Cell volume	7161.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1699
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	0.857
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.	7054466.cif
124584	2014-10-05	cif/ Adding structures of 7054463, 7054464, 7054465, 7054466 via cif-deposit CGI script.	7054466.cif