Crystallography Open Database

Information card for entry 2100768

Preview

Coordinates	2100768.cif
Original IUCr paper	HTML

Structure parameters

Formula	C5 H15 Ca Cl2 N O4
Calculated formula	C H2 Ca0.25 Cl0.25 N0.25 O0.75
Title of publication	Structural analysis of the fourfold phase of betaine calcium chloride dihydrate at 90 K
Authors of publication	Ezpeleta, J. M.; Zúñiga, F. J.; Pérez-Mato, J. M.; Paciorek, W. A.; Breczewski, T.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	3
Pages of publication	261 - 269
a	10.894 ± 0.002 Å
b	10.013 ± 0.001 Å
c	43.237 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4716 ± 1 Å³
Number of distinct elements	6
Hermann-Mauguin space group symbol	P 21 c a
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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