Crystallography Open Database

Information card for entry 8104957

Preview

Coordinates	8104957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H98 I12 N34 O20 Zn6
Calculated formula	C132 H98 I12 N34 O20 Zn6
Title of publication	Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ3-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C72H48I12N24Zn6⋅10(C6H5NO2)
Authors of publication	Eigner, Václav
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	1
Pages of publication	45 - 49
a	34.978 ± 0.00015 Å
b	15.02541 ± 0.00006 Å
c	30.13247 ± 0.00012 Å
α	90°
β	101.903 ± 0.0004°
γ	90°
Cell volume	15495.9 ± 0.11 Å³
Cell temperature	95 K
Ambient diffraction temperature	95 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	6
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	0.0515
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for all reflections	0.1329
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.0768
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274120 (current)	2022-03-30	cif/ Adding structures of 8104957 via cif-deposit CGI script.	8104957.cif