Crystallography Open Database

Information card for entry 4308593

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Coordinates	4308593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H106 N10 Ni2 O24
Calculated formula	C53 H63.75 N8 Ni2 O12
Title of publication	Flexible Eightfold Interpenetrating Diamondoid Network Generating 1D Channels: Selective Binding with Organic Guests
Authors of publication	Hyunji Kim; Myunghyun Paik Suh
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	810 - 812
a	33.5933 ± 0.0017 Å
b	24.5773 ± 0.0013 Å
c	33.6567 ± 0.0018 Å
α	90°
β	97.711 ± 0.001°
γ	90°
Cell volume	27537 ± 2 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	5
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	0.201
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.2564
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308593.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308593.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308593.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4308593.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308593.cif