Crystallography Open Database

Information card for entry 2100840

Preview

Coordinates	2100840.cif
Original IUCr paper	HTML

Structure parameters

Formula	C2 H2
Calculated formula	C2 H2
SMILES	C#C
Title of publication	Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
Authors of publication	McMullan, R. K.; Kvick, Å.; Popelier, P.
Journal of publication	Acta Crystallographica Section B
Year of publication	1992
Journal volume	48
Journal issue	5
Pages of publication	726 - 731
a	6.094 ± 0.0008 Å
b	6.094 ± 0.0008 Å
c	6.094 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	226.31 ± 0.05 Å³
Number of distinct elements	2
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.0402 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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