Crystallography Open Database

Information card for entry 4512060

4512059 << 4512060 >> 4512061

Preview

Coordinates	4512060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H54 Cl2 Hg2 N4 O8 S6
Calculated formula	C49 H54 Cl2 Hg2 N4 O8 S6
Title of publication	Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures
Authors of publication	Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	6012
a	30.8857 ± 0.0012 Å
b	16.9408 ± 0.0007 Å
c	10.3607 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5421 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179667 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20.	4512060.cif
126863	2014-11-11	cif/ Updating files of 4512059, 4512060, 4512061, 4512062, 4512063, 4512064, 4512065 Original log message: Adding full bibliography for 4512059--4512065.cif.	4512060.cif
124476	2014-10-02	cif/ Adding structures of 4512059, 4512060, 4512061, 4512062, 4512063, 4512064, 4512065 via cif-deposit CGI script.	4512060.cif