Crystallography Open Database

Information card for entry 4339841

Preview

Coordinates	4339841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H56 Cl2 O12 P2 Zn3
Calculated formula	C74 H56 Cl2 O12 P2 Zn3
Title of publication	[Ph(3)PCH(2)Ph](2)[Zn(3)(tp)(3)Cl(2)] and Ni(3)(tma)(2)(H(2)O)(8): two unusual claylike frameworks of metal-polycarboxylate coordination polymers (tp = terephthalate, tma = trimesate).
Authors of publication	Yang, Guo-Dong; Dai, Jing-Cao; Lian, Yun-Xia; Wu, Wen-Shi; Lin, Jian-Ming; Hu, Sheng-Min; Sheng, Tian-Lu; Fu, Zhi-Yong; Wu, Xin-Tao
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7910 - 7916
a	18.9555 ± 0.0012 Å
b	10.2697 ± 0.0005 Å
c	17.0673 ± 0.001 Å
α	90°
β	99.486 ± 0.004°
γ	90°
Cell volume	3277 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0418
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339841.cif
117570	2014-06-15	cif/ Adding structures of 4339841, 4339842, 4339843 via cif-deposit CGI script.	4339841.cif