Crystallography Open Database

Information card for entry 7121497

Preview

Coordinates	7121497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H30 N2 O52 S13.97 Zn12
Calculated formula	C86 H30 N2 O51 S13.8852 Zn12
Title of publication	Generation of thiyl radicals in a zinc(ii) porous coordination polymer by light-induced post-synthetic deprotection.
Authors of publication	Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	38
Pages of publication	4782 - 4785
a	23.5616 ± 0.0011 Å
b	10.817 ± 0.0004 Å
c	28.5728 ± 0.0009 Å
α	90°
β	90.096 ± 0.003°
γ	90°
Cell volume	7282.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.1656
Residual factor for significantly intense reflections	0.1032
Weighted residual factors for significantly intense reflections	0.2637
Weighted residual factors for all reflections included in the refinement	0.3119
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228595 (current)	2019-11-17	cif/ Updating files of 7121497, 7121498 Original log message: Adding full bibliography for 7121497--7121498.cif.	7121497.cif
207348	2018-04-16	cif/ Adding structures of 7121497, 7121498 via cif-deposit CGI script.	7121497.cif