Crystallography Open Database

Information card for entry 4503168

Preview

Coordinates	4503168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H146.5 Cd8 N8 O77.5
Calculated formula	C88 H127 Cd8 N8 O77.25
Title of publication	One-Dimensional Double Helical Structure and 4-Fold Type [2 + 2] Interpenetration of Diamondoid Networks with Helical Fashion
Authors of publication	Lee, Ho Yong; Park, Jaejoon; Lah, Myoung Soo; Hong, Jong-In
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	587
a	16.7039 ± 0.0011 Å
b	14.0024 ± 0.0009 Å
c	26.8224 ± 0.0017 Å
α	90°
β	91.165 ± 0.001°
γ	90°
Cell volume	6272.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4503168.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503168.cif
41396	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503168 via cif-deposit CGI script.	4503168.cif