Test Crystallography Open Database

Information card for entry 7700034

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Coordinates	7700034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H48 Cl N3 O3
Calculated formula	C21 H48 Cl N3 O3
Title of publication	Structural, theoretical and spectroscopic studies of the dichloride hexahydrate cube [Cl2(H2O)6]2−
Authors of publication	Butchard, James R.; Curnow, Owen J.; Garrett, David J.; Maclagan, Robert G. A. R.; Libowitzky, Eugen; Piccoli, Paula M. B.; Schultz, Arthur J.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	38
Pages of publication	11765
a	9.771 ± 0.002 Å
b	10.103 ± 0.002 Å
c	13.03 ± 0.002 Å
α	82.575 ± 0.015°
β	80.833 ± 0.014°
γ	88.339 ± 0.015°
Cell volume	1259.2 ± 0.4 Å³
Cell temperature	20 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Method of determination	powder diffraction
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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