Crystallography Open Database

Information card for entry 7113850

Preview

Coordinates	7113850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51 Mo5 N9 Ni2 O32.5 P2
Calculated formula	C38 H28 Mo5 N9 Ni2 O32.4 P2
Title of publication	A building block approach to the synthesis of organic‒inorganic oxide materials: the hydrothermal synthesis and network structure of [{Ni4(tpypyz)3}{Mo5O15(O3PCH2CH2PO3)}2]·23H2O (tpypyz = tetra-2-pyridylpyrazine)
Authors of publication	Burkholder, Eric; Golub, Vladimir; O'Connor, Charles J.; Zubieta, Jon
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	17
Pages of publication	2128 - 2129
a	24.6741 ± 0.0013 Å
b	15.4148 ± 0.0008 Å
c	30.8125 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	11719.4 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103855
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210529 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7103855, 7113850. Marking entry 7113850 as a duplicate of entry 7103855.	7113850.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113850.cif
115310	2014-06-02	cif/ Adding structures of 7113850 via cif-deposit CGI script.	7113850.cif