Crystallography Open Database

Information card for entry 4342267

Preview

Coordinates	4342267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H72 Cd Cl2 N18 Ni2 O3
Calculated formula	C86 H70 Cd Cl2 N18 Ni2 O3
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	22.2012 ± 0.0005 Å
b	8.8143 ± 0.0002 Å
c	22.3347 ± 0.0005 Å
α	90°
β	102.196 ± 0.001°
γ	90°
Cell volume	4271.99 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.193
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4342267.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.	4342267.cif
130490	2015-02-04	cif/ Adding structures of 4342263, 4342264, 4342265, 4342266, 4342267, 4342268, 4342269, 4342270 via cif-deposit CGI script.	4342267.cif