Crystallography Open Database

Information card for entry 4123489

Preview

Coordinates	4123489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H66 N O33 Zr6
Calculated formula	C83 H66 N O33 Zr6
Title of publication	Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.
Authors of publication	Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	9
Pages of publication	3177 - 3180
a	34.351 ± 0.017 Å
b	34.351 Å
c	14.71 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	17358 ± 12 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.2271
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.2475
Weighted residual factors for all reflections included in the refinement	0.2802
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179036 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34.	4123489.cif
134818	2015-04-04	cif/ Updating files of 4123486, 4123487, 4123488, 4123489, 4123490 Original log message: Adding full bibliography for 4123486--4123490.cif.	4123489.cif
132684	2015-03-04	cif/ Adding structures of 4123489 via cif-deposit CGI script.	4123489.cif