Crystallography Open Database

Information card for entry 7219499

7219498 << 7219499 >> 7219500

Preview

Coordinates	7219499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H45.33 N2 O36.17 Zn8
Calculated formula	C58 H21 N2 O36.1667 Zn8
Title of publication	Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages
Authors of publication	Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	9
Pages of publication	1923
a	52.623 ± 0.003 Å
b	52.623 ± 0.003 Å
c	52.623 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	145723 ± 14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.1423
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.2331
Weighted residual factors for all reflections included in the refinement	0.3012
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
180525 (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 7/21/94.	7219499.cif
133240	2015-03-06	cif/ Updating files of 7219499 Original log message: Adding full bibliography for 7219499.cif.	7219499.cif
131216	2015-02-06	cif/ Adding structures of 7219499 via cif-deposit CGI script.	7219499.cif