Crystallography Open Database

Information card for entry 4342270

Preview

Coordinates	4342270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H93 Cd Cl2 N25 Ni2 O5
Calculated formula	C95 H90 Cd Cl2 N25 Ni2 O5
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	23.9011 ± 0.0008 Å
b	34.6395 ± 0.0008 Å
c	13.4553 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	11139.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	44
Hermann-Mauguin space group symbol	I m m 2
Hall space group symbol	I 2 -2
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4342270.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.	4342270.cif
130490	2015-02-04	cif/ Adding structures of 4342263, 4342264, 4342265, 4342266, 4342267, 4342268, 4342269, 4342270 via cif-deposit CGI script.	4342270.cif