Crystallography Open Database

Information card for entry 7207456

7207455 << 7207456 >> 7207457

Preview

Coordinates	7207456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 N12 Ni2 O13
Calculated formula	C54 H40 N12 Ni2 O13
Title of publication	One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate
Authors of publication	Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	2080
a	7.8961 ± 0.0016 Å
b	18.24 ± 0.004 Å
c	17.618 ± 0.003 Å
α	90°
β	96.23 ± 0.03°
γ	90°
Cell volume	2522.4 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180405 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/74.	7207456.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207456.cif
37647	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207456, 7207457 via cif-deposit CGI script.	7207456.cif