Crystallography Open Database

Information card for entry 7202395

7202394 << 7202395 >> 7202396

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Coordinates	7202395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H40 N12 O12 S4
Calculated formula	C33 H40 N12 O12 S4
Title of publication	Hydrogen-bonding tectons for the construction of bimolecular framework materials
Authors of publication	Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	12
Pages of publication	1782
a	22.41 ± 0.02 Å
b	8.27 ± 0.007 Å
c	23.68 ± 0.02 Å
α	90°
β	110.17 ± 0.02°
γ	90°
Cell volume	4119 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180354 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/23.	7202395.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202395.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202395.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202395.cif