Crystallography Open Database

Information card for entry 7027777

Preview

Coordinates	7027777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H178 Li4 N8 O20 Sr2
Calculated formula	C120 H32 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	13.3348 ± 0.0005 Å
b	15.2025 ± 0.0005 Å
c	18.5975 ± 0.0007 Å
α	70.644 ± 0.002°
β	73.347 ± 0.002°
γ	79.079 ± 0.002°
Cell volume	3389.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1231
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.2661
Weighted residual factors for all reflections included in the refinement	0.2844
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7027777.cif
95775	2014-01-28	cif/ Adding structures of 7027776, 7027777 via cif-deposit CGI script.	7027777.cif