Crystallography Open Database

Information card for entry 2104536

Preview

Coordinates	2104536.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	bis(1,3-bis(2,6-Isopropylphenyl)-4,5-dihydro-2-ylidene-copper(ii) hexafluorophosphate
Formula	C54 H76 Cu F6 N4 P
Calculated formula	C54 H76 Cu F6 N4 P
SMILES	C1(N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Cu]=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Authors of publication	Marsh, Richard E.
Journal of publication	Acta Crystallographica Section B
Year of publication	2009
Journal volume	65
Journal issue	6
Pages of publication	782 - 783
a	17.6928 ± 0.0008 Å
b	17.7186 ± 0.0008 Å
c	16.7094 ± 0.0007 Å
α	90°
β	99.431 ± 0.001°
γ	90°
Cell volume	5167.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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