Crystallography Open Database

Information card for entry 4335044

Preview

Coordinates	4335044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126.5 H100 Cl4 Mn2 N24 O28
Calculated formula	C126.5 H100 Cl3 Mn2 N24 O24
Title of publication	Architectural Spiroligomers Designed for Binuclear Metal Complex Templating
Authors of publication	Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6457 - 6463
a	16.467 ± 0.003 Å
b	24.962 ± 0.005 Å
c	27.659 ± 0.006 Å
α	100.71 ± 0.03°
β	93.73 ± 0.03°
γ	98.49 ± 0.03°
Cell volume	10999 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.2299
Residual factor for significantly intense reflections	0.1263
Weighted residual factors for significantly intense reflections	0.275
Weighted residual factors for all reflections included in the refinement	0.3188
Goodness-of-fit parameter for all reflections included in the refinement	0.788
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
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.	4335044.cif
100948	2014-02-10	cif/ Adding structures of 4335044 via cif-deposit CGI script.	4335044.cif