Crystallography Open Database

Information card for entry 7040921

Preview

Coordinates	7040921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H97 N12 O41 Y9
Calculated formula	C144 H97 N12 O41 Y9
Title of publication	A series of robust metal-porphyrinic frameworks based on rare earth clusters and their application in N-H carbene insertion.
Authors of publication	Xu, Lei; Zhai, Meng-Ke; Wang, Fei; Sun, Lin; Du, Hong-Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	43
Pages of publication	17108 - 17112
a	22.6495 ± 0.0013 Å
b	22.6495 ± 0.0013 Å
c	17.9177 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	7960.3 ± 0.8 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.1297
Weighted residual factors for significantly intense reflections	0.387
Weighted residual factors for all reflections included in the refinement	0.3931
Goodness-of-fit parameter for all reflections included in the refinement	1.897
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
188188 (current)	2016-11-08	cif/ Updating files of 7040921, 7040922, 7040923, 7040924, 7040925, 7040926 Original log message: Adding full bibliography for 7040921--7040926.cif.	7040921.cif
187356	2016-10-15	cif/ Adding structures of 7040921, 7040922, 7040923, 7040924, 7040925, 7040926 via cif-deposit CGI script.	7040921.cif