Crystallography Open Database

Information card for entry 4319256

4319255 << 4319256 >> 4319257

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Coordinates	4319256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C193 H267 N11 O28 Rb4 S16
Calculated formula	C193 H253 N11 O28 Rb4 S16
Title of publication	Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners
Authors of publication	Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	672 - 686
a	12.241 ± 0.001 Å
b	21.684 ± 0.002 Å
c	21.685 ± 0.003 Å
α	110.308 ± 0.002°
β	103.14 ± 0.002°
γ	93.445 ± 0.002°
Cell volume	5195.6 ± 1 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.179
Residual factor for significantly intense reflections	0.081
Weighted residual factors for all reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections	1.473
Goodness-of-fit parameter for all reflections included in the refinement	1.516
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4319256.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319256.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319256.cif
15988	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319256 via cif-deposit CGI script.	4319256.cif