Crystallography Open Database

Information card for entry 4506754

Preview

Coordinates	4506754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 Cl3 N O3 S
Calculated formula	C39 H30 Cl3 N O3 S
Title of publication	Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures
Authors of publication	Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4600
a	30.5283 ± 0.0002 Å
b	30.5283 ± 0.0002 Å
c	14.0942 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	13135.5 ± 0.15 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	296.1 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179603 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67.	4506754.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506754.cif
71799	2013-01-21	cif/ Adding structures of 4506754 via cif-deposit CGI script.	4506754.cif