Crystallography Open Database

Information card for entry 4001992

4001991 << 4001992 >> 4001993

Preview

Coordinates	4001992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H114 Cu3 N30 O34 P6
Calculated formula	C98 H90 Cu3 N30 O34 P6
Title of publication	Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties
Authors of publication	Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	12
Pages of publication	3811
a	21.231 ± 0.004 Å
b	23.026 ± 0.005 Å
c	24.026 ± 0.005 Å
α	90°
β	94.949 ± 0.004°
γ	90°
Cell volume	11702 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2151
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2278
Weighted residual factors for all reflections included in the refinement	0.2868
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001992.cif
119081	2014-07-05	cif/ Updating files of 4001992, 4001993, 4001994, 4001995, 4001996, 4001997 Original log message: Adding full bibliography for 4001992--4001997.cif.	4001992.cif
116877	2014-06-14	cif/ Adding structures of 4001992 via cif-deposit CGI script.	4001992.cif