Crystallography Open Database

Information card for entry 7016641

Preview

Coordinates	7016641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Cu3 N8 O15 P4
Calculated formula	C44 H40 Cu3 N8 O15 P4
Title of publication	N-heterocyclic amine-directed structures and properties of two Cu(ii) diphosphonates.
Authors of publication	Ma, Kui-Rong; Ma, Feng; Zhu, Yu-Lan; Yu, Lin-Juan; Zhao, Xiao-Min; Yang, Yin; Duan, Wei-He
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	38
Pages of publication	9774 - 9781
a	9.8755 ± 0.0013 Å
b	10.5099 ± 0.0014 Å
c	24.57 ± 0.003 Å
α	81.129 ± 0.002°
β	84.708 ± 0.002°
γ	67.205 ± 0.002°
Cell volume	2321.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016641.html