Crystallography Open Database

Information card for entry 7219964

7219963 << 7219964 >> 7219965

Preview

Coordinates	7219964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H105 N14 Nd3 O61 S4
Calculated formula	C78 H92 N14 Nd3 O61 S4
Title of publication	Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest
Authors of publication	Husain, Ahmad; Oliver, Clive L.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	15
Pages of publication	3023
a	15.987 ± 0.0015 Å
b	18.722 ± 0.0018 Å
c	19.304 ± 0.0019 Å
α	116.971 ± 0.002°
β	91.384 ± 0.002°
γ	90.88 ± 0.002°
Cell volume	5145.7 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0737
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219964.cif
134912	2015-04-06	cif/ Updating files of 7219964, 7219965 Original log message: Adding full bibliography for 7219964--7219965.cif.	7219964.cif
134228	2015-03-21	cif/ Adding structures of 7219964, 7219965 via cif-deposit CGI script.	7219964.cif