Crystallography Open Database

Information card for entry 4342268

Preview

Coordinates	4342268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H116 Cd Cl2 N22 Ni2 O7
Calculated formula	C122 H107 Cd Cl2 N22 Ni2 O7
Title of publication	Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.
Authors of publication	Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	2032 - 2039
a	32.6713 ± 0.0007 Å
b	9.4472 ± 0.0002 Å
c	38.4422 ± 0.0008 Å
α	90°
β	107.443 ± 0.001°
γ	90°
Cell volume	11319.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179525 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22.	4342268.cif
132824	2015-03-04	cif/ Updating files of 4342263, 4342264, 4342265, 4342266, 4342267, 4342268, 4342269, 4342270 Original log message: Adding full bibliography for 4342263--4342270.cif.	4342268.cif
130490	2015-02-04	cif/ Adding structures of 4342263, 4342264, 4342265, 4342266, 4342267, 4342268, 4342269, 4342270 via cif-deposit CGI script.	4342268.cif