Crystallography Open Database

Information card for entry 7027776

Preview

Coordinates	7027776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H162 Li4 N8 O20 Sr2
Calculated formula	C114 H134 Li4 N8 O20 Sr2
Title of publication	A mixed lithium‒strontium polynuclear complex formed within the hexa-deprotonated calix[8]arene framework; the synthesis and structure of Li4Sr2(H2L)(O2CC4H9)2(dmf )8 [H8L = p-Pri- or p-Bui-calix[8]arene] †
Authors of publication	Clague, Nicholas P.; Crane, Jonathan D.; Moreton, David J.; Sinn, Ekkehard; Teat, Simon J.; Young, Nigel A.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	20
Pages of publication	3535
a	13.079 ± 0.002 Å
b	15.19 ± 0.003 Å
c	16.187 ± 0.003 Å
α	76.844 ± 0.005°
β	86.659 ± 0.006°
γ	84.66 ± 0.006°
Cell volume	3115.6 ± 1 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 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	0.1048
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.2795
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.6875 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179983 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/77.	7027776.cif
95775	2014-01-28	cif/ Adding structures of 7027776, 7027777 via cif-deposit CGI script.	7027776.cif